OGZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| F2 | C20 | sing | 1.40Å | 1.30Å | |
| C20 | F1 | sing | 1.40Å | 1.37Å | |
| C20 | F | sing | 1.40Å | 1.31Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 1.01Å | 1.00Å | |
| N2 | H8 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C14 | C15 | 114.0° | 109.5° |
| N2 | C14 | H1 | 108.3° | 109.5° |
| N2 | C14 | H2 | 108.3° | 109.5° |
| C14 | N2 | H7 | 109.5° | 111.0° |
| C14 | N2 | H8 | 109.5° | 111.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | C21 | 121.1° | 120.0° |
| C15 | C14 | H1 | 108.3° | 109.5° |
| C15 | C14 | H2 | 108.4° | 109.5° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C16 | C15 | C21 | 118.7° | 119.9° |
| C15 | C16 | H4 | 119.6° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C16 | C17 | H3 | 119.9° | 120.0° |
| C17 | C16 | H4 | 119.6° | 120.0° |
| C15 | C21 | C19 | 121.1° | 120.1° |
| C15 | C21 | H6 | 119.4° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H3 | 119.9° | 120.0° |
| C17 | C18 | H5 | 119.9° | 120.0° |
| C21 | C19 | C18 | 119.2° | 120.0° |
| C21 | C19 | C20 | 120.8° | 120.0° |
| C19 | C21 | H6 | 119.5° | 120.0° |
| C18 | C19 | C20 | 120.0° | 120.0° |
| C19 | C18 | H5 | 119.9° | 120.0° |
| C19 | C20 | F2 | 112.3° | 109.4° |
| C19 | C20 | F1 | 114.6° | 109.5° |
| C19 | C20 | F | 112.4° | 109.5° |
| F2 | C20 | F1 | 107.6° | 109.4° |
| F2 | C20 | F | 102.3° | 109.5° |
| F1 | C20 | F | 106.8° | 109.5° |
| H1 | C14 | H2 | 109.4° | 109.4° |
| H7 | N2 | H8 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C14 | C15 | H1 | 120.7° | 120.1° |
| N2 | C14 | C15 | H2 | 120.7° | 120.0° |
| N2 | C14 | C15 | C16 | 87.7° | 89.7° |
| N2 | C14 | C15 | C21 | 92.6° | 90.0° |
| N2 | C14 | H1 | H2 | 117.9° | 120.0° |
| C14 | N2 | H7 | H8 | 120.0° | 124.0° |
| C14 | C15 | C16 | C21 | 179.7° | 179.7° |
| C14 | C15 | C16 | C17 | 179.6° | 179.9° |
| C14 | C15 | C21 | C19 | 179.7° | 180.0° |
| C15 | C14 | H1 | H2 | 117.9° | 120.0° |
| C14 | C15 | C16 | H4 | 0.4° | 0.0° |
| C14 | C15 | C21 | H6 | 0.4° | 0.0° |
| C15 | C14 | N2 | H7 | 180.0° | 56.0° |
| C15 | C14 | N2 | H8 | 60.0° | 180.0° |
| C15 | C16 | C17 | H4 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.4° | 0.1° |
| C16 | C15 | C21 | C19 | 0.7° | 0.3° |
| C16 | C15 | C14 | H1 | 151.6° | 30.3° |
| C16 | C15 | C14 | H2 | 33.0° | 150.3° |
| C15 | C16 | C17 | H3 | 179.7° | 179.7° |
| C16 | C15 | C21 | H6 | 179.3° | 179.7° |
| C17 | C16 | C15 | C21 | 0.1° | 0.2° |
| C16 | C17 | C18 | H3 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C16 | C17 | C18 | H5 | 179.9° | 179.8° |
| C15 | C21 | C19 | H6 | 180.0° | 180.0° |
| C15 | C21 | C19 | C18 | 1.1° | 0.0° |
| C15 | C21 | C19 | C20 | 177.6° | 179.7° |
| C21 | C15 | C14 | H1 | 28.1° | 150.0° |
| C21 | C15 | C14 | H2 | 146.7° | 30.0° |
| C21 | C15 | C16 | H4 | 180.0° | 179.7° |
| C17 | C18 | C19 | C21 | 0.8° | 0.3° |
| C17 | C18 | C19 | H5 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 177.9° | 180.0° |
| C18 | C17 | C16 | H4 | 179.7° | 180.0° |
| C21 | C19 | C18 | C20 | 178.7° | 179.7° |
| C21 | C19 | C20 | F2 | 103.6° | 60.3° |
| C21 | C19 | C20 | F1 | 19.5° | 179.8° |
| C21 | C19 | C20 | F | 141.7° | 59.7° |
| C21 | C19 | C18 | H5 | 179.1° | 179.8° |
| C18 | C19 | C20 | F2 | 77.7° | 120.0° |
| C18 | C19 | C20 | F1 | 159.2° | 0.0° |
| C18 | C19 | C20 | F | 37.0° | 120.0° |
| C19 | C18 | C17 | H3 | 179.9° | 180.0° |
| C18 | C19 | C21 | H6 | 178.8° | 180.0° |
| C19 | C20 | F2 | F1 | 126.9° | 120.0° |
| C19 | C20 | F2 | F | 120.7° | 120.0° |
| C19 | C20 | F1 | F | 125.2° | 120.0° |
| C20 | C19 | C18 | H5 | 2.1° | 0.1° |
| C20 | C19 | C21 | H6 | 2.4° | 0.3° |
| F2 | C20 | F1 | F | 109.2° | 120.0° |
| H1 | C14 | N2 | H7 | 59.3° | 64.0° |
| H1 | C14 | N2 | H8 | 60.7° | 60.0° |
| H2 | C14 | N2 | H7 | 59.3° | 176.0° |
| H2 | C14 | N2 | H8 | 179.3° | 60.0° |
| H3 | C17 | C16 | H4 | 0.3° | 0.3° |
| H3 | C17 | C18 | H5 | 0.1° | 0.1° |
